SCHEMBL7904591

SCHEMBL7904591

COc1ccc(Cc2ccc(NC(N)=O)nc2)c(F)c1-c1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.51
FBP1 P09467 1/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
SCD O00767 2/20 0.40
PKM P14618 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3467149 0.92 PDE4D (0.43) PDE4DFBP1KMT2AMEN1RAB9A
SCHEMBL8031130 0.89 MAPK1 (0.42) PDE4DKMT2AMEN1MAPK1
SCHEMBL4323934 0.87 CYP1A2 (0.45) PDE4DFBP1KMT2AMEN1RAB9A
SCHEMBL11996275 0.87 PDE4D (0.40) PDE4DFBP1KMT2AMEN1RAB9A
SCHEMBL3467051 0.87 PDE4D (0.40) PDE4DFBP1HCRTR1HCRTR2PDE4B
SCHEMBL3791661 0.86 PDE4D (0.44) PDE4DFBP1HCRTR1HCRTR2MAPT
SCHEMBL3790847 0.86 PDE4D (0.68) PDE4DFBP1KMT2AMEN1RAB9A
SCHEMBL3791157 0.86 PDE4D (0.45) PDE4DFBP1KMT2AMEN1CYP1A2
SCHEMBL3785842 0.85 HTT (0.41) PDE4DSMN1; SMN2PDE4BLMNATSHR
SCHEMBL3787899 0.85 PDE4B (0.40) PDE4DCYP3A4CYP2D6CYP2C19HCRTR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed